2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione

C14H12N2O6S — CID 150998829

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione
SMILESCS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H12N2O6S/c1-23(21,22)9-4-2-3-7-11(9)14(20)16(13(7)19)8-5-6-10(17)15-12(8)18/h2-4,8H,5-6H2,1H3,(H,15,17,18)
InChIKeyLTRDPARQAWWFNZ-UHFFFAOYSA-N
MW336.33 g/mol
LogP-0.51
Rot. Bonds2

About 2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione (PubChem CID 150998829) has the molecular formula C14H12N2O6S and a molecular weight of 336.33 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione
PubChem CID150998829
Molecular FormulaC14H12N2O6S
Molecular Weight336.33 g/mol
Exact Mass336.04
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione
SMILESCS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H12N2O6S/c1-23(21,22)9-4-2-3-7-11(9)14(20)16(13(7)19)8-5-6-10(17)15-12(8)18/h2-4,8H,5-6H2,1H3,(H,15,17,18)
InChIKeyLTRDPARQAWWFNZ-UHFFFAOYSA-N
XLogP-0.51
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-sulfonamide
CID 154689780
2-(2,6-dioxopiperidin-3-yl)-4-(2-iodoethylsulfonyl)isoindole-1,3-dione
CID 152675638
4-tert-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 134488749
2-(2,6-dioxopiperidin-3-yl)-4-(6-iodohexylsulfonyl)isoindole-1,3-dione
CID 151673072
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
CID 156883025

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione (CID 150998829) is 2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione is CS(=O)(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione?
The InChIKey is LTRDPARQAWWFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6S/c1-23(21,22)9-4-2-3-7-11(9)14(20)16(13(7)19)8-5-6-10(17)15-12(8)18/h2-4,8H,5-6H2,1H3,(H,15,17,18).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione has a molecular weight of 336.33 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-methylsulfonylisoindole-1,3-dione is sourced from PubChem (CID 150998829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).